5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]

C58H34N4O — CID 130327293

IUPAC5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C58H34N4O/c1-2-16-35(17-3-1)55-59-56(61-57(60-55)44-25-15-31-51-52(44)43-24-8-13-30-50(43)63-51)36-18-14-19-37(34-36)62-48-29-12-7-23-42(48)53-49(62)33-32-41-40-22-6-11-28-47(40)58(54(41)53)45-26-9-4-20-38(45)39-21-5-10-27-46(39)58/h1-34H
InChIKeyFNDSIBJFIZWDNV-UHFFFAOYSA-N
MW802.94 g/mol
LogP14.21
Rot. Bonds4

About 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]

5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] (PubChem CID 130327293) has the molecular formula C58H34N4O and a molecular weight of 802.94 g/mol. Its IUPAC name is 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole].

Molecular Properties

Compound Name5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]
PubChem CID130327293
Molecular FormulaC58H34N4O
Molecular Weight802.94 g/mol
Exact Mass802.27
IUPAC Name5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C58H34N4O/c1-2-16-35(17-3-1)55-59-56(61-57(60-55)44-25-15-31-51-52(44)43-24-8-13-30-50(43)63-51)36-18-14-19-37(34-36)62-48-29-12-7-23-42(48)53-49(62)33-32-41-40-22-6-11-28-47(40)58(54(41)53)45-26-9-4-20-38(45)39-21-5-10-27-46(39)58/h1-34H
InChIKeyFNDSIBJFIZWDNV-UHFFFAOYSA-N
XLogP14.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592032
5'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]
CID 155159696
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 130327359
9-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 167032367
9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162504557
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 147983982
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164845453
9-phenyl-14-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176817804

Frequently Asked Questions

What is the IUPAC name of 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]?
The IUPAC name of 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] (CID 130327293) is 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole].
What is the SMILES notation for 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]?
The canonical SMILES for 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]?
The InChIKey is FNDSIBJFIZWDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O/c1-2-16-35(17-3-1)55-59-56(61-57(60-55)44-25-15-31-51-52(44)43-24-8-13-30-50(43)63-51)36-18-14-19-37(34-36)62-48-29-12-7-23-42(48)53-49(62)33-32-41-40-22-6-11-28-47(40)58(54(41)53)45-26-9-4-20-38(45)39-21-5-10-27-46(39)58/h1-34H.
What are the key properties of 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]?
5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] has a molecular weight of 802.94 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole] is sourced from PubChem (CID 130327293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).